4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-11.7207664879 stress="-1.7917852538926924 -0.06267545426519652 -0.2779237796337209 -0.06267545426519652 -1.7455563630671365 0.0908099946137185 -0.2779237796337209 0.0908099946137185 -1.8205329558200516" pbc="F F F" Zr 0.11767946 -0.05787853 0.00313806 -3.60591457 -2.96217653 -3.12804894 Zr 1.69222877 1.61744875 -0.17266820 2.37579618 2.94957153 -2.77481160 Zr 1.64789003 0.11039390 1.55314149 3.58257198 -2.61703391 3.96593857 Zr 0.00078024 1.74910893 1.55985328 -2.35245359 2.62963891 1.93692197